%chk=000130845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130845

0 1
 O   -1.381500      -1.392700      0.5278000    
 O  -0.1611000       1.098300      0.7222000    
 O    2.452800       1.585500      -1.186700    
 O   7.0200004E-02  -3.730200      0.9283000    
 N    1.983000       1.848300      0.1045000    
 N    2.539300      -2.926100     -0.3198000    
 C   6.7199998E-02  -3.093300     -0.3525000    
 C   -1.254500      -2.347200     -0.5216000    
 C    1.293100      -2.180800     -0.4355000    
 C   -2.079700     -0.2507000      0.2394000    
 C   -1.464000      0.9931000      0.3385000    
 C   0.5877000       2.201700      0.2069000    
 C    3.792600       1.067700     -0.9500000    
 C   -3.410800     -0.3501000     -0.1538000    
 C    2.844200       1.467500       1.077400    
 C   -2.186700       2.148800      4.2399999E-02
 C    3.963800      0.9994000      0.5330000    
 C   -4.133700      0.8056000     -0.4495000    
 C   -3.521800       2.055100     -0.3510000    
 H   0.1267000      -3.878300      -1.115900    
 H   -2.089500      -3.052100     -0.4384000    
 H   -1.286200      -1.867300      -1.507900    
 H    1.273100      -1.449800      0.3797000    
 H    1.288100      -1.629400      -1.382000    
 H   0.4793000       3.050700      0.8919000    
 H   0.2345000       2.504500     -0.7872000    
 H    4.515700       1.747900      -1.409400    
 H    3.866000      7.8100003E-02  -1.410000    
 H   -3.902400      -1.316100     -0.2261000    
 H    2.585000       1.554700       2.120000    
 H   -1.759600       3.142900      0.1344000    
 H    4.825900      0.6236000       1.059800    
 H   -5.174000      0.7328000     -0.7528000    
 H   -4.087300       2.955200     -0.5740000    
 H   0.9114000      -4.211000       1.011400    
 H    2.606800      -3.601200      -1.080200    
 H    3.326900      -2.289200     -0.4316000    


%chk=000130845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130845

0 1
O -0.859631 -1.127445 -0.214716
O 0.085976 1.308913 0.053059
O 2.704543 2.525577 -0.969758
O 0.147682 -3.701683 1.118350
N 2.090122 2.595289 0.417237
N 2.377369 -3.555721 -0.310990
C -0.084566 -3.433071 -0.295542
C -1.299389 -2.510670 -0.439913
C 1.221492 -2.840204 -0.909368
C -1.821429 -0.117322 -0.213723
C -1.309904 1.211174 -0.052406
C 0.655920 2.658324 0.319868
C 3.879137 1.597606 -0.866066
C -3.211913 -0.317902 -0.353418
C 2.749610 1.605465 1.191317
C -2.204515 2.303858 -0.018231
C 3.790268 1.028335 0.538374
C -4.099843 0.785744 -0.321886
C -3.599389 2.089992 -0.151739
H -0.340964 -4.387296 -0.815721
H -2.050183 -2.806960 0.318446
H -1.743200 -2.595325 -1.454487
H 1.284214 -1.779445 -0.616790
H 1.184767 -2.892328 -2.017535
H 0.257135 3.033842 1.283644
H 0.400261 3.351921 -0.501059
H 4.799058 2.194593 -1.036432
H 3.788358 0.831385 -1.663346
H -3.611248 -1.328084 -0.482492
H 2.393657 1.419329 2.204744
H -1.831962 3.325357 0.105179
H 4.484183 0.297830 0.952100
H -5.176289 0.615360 -0.428251
H -4.281282 2.946304 -0.124279
H 1.151566 -3.824294 1.156721
H 2.619583 -4.443097 -0.763927
H 3.201303 -2.969450 -0.155264


